N-[(1-Chloro-4-Hydroxy-3-Isoquinolinyl)Carbonyl]-L-Alanine
Properties
Property | Value |
---|---|
Formula | C13H11ClN2O4 |
IUPAC Name | (2s)-2-[(1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]propanoic acid |
Molecular Mass | 294.690 g·mol−1 |
Heat of Formation | -615.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.14 ± 1.08 D |
Volume | 310.62 Å 3 |
Surface Area | 290.26 Å 2 |
HOMO Energy | -9.23 ± 0.55 eV |
LUMO Energy | -1.34 ± eV |
Point Group Symmetry | C1 |
InChIKey | QJWFWOUODUTVCE-LURJTMIESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |